N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide

C18H16ClN3O — CID 35537998

IUPACN-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c19-16-8-6-14(7-9-16)12-18(23)20-17-10-11-22(21-17)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,20,21,23)
InChIKeyZORPYTWLJCWREU-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.77
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide

N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 35537998) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
PubChem CID35537998
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c19-16-8-6-14(7-9-16)12-18(23)20-17-10-11-22(21-17)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,20,21,23)
InChIKeyZORPYTWLJCWREU-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
CID 11056043
Gsk-5498A
CID 46945384
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide (CID 35537998) is N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is ZORPYTWLJCWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-16-8-6-14(7-9-16)12-18(23)20-17-10-11-22(21-17)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,20,21,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide?
N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 35537998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).